(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane

C12H24O3 — CID 59918570

IUPAC(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane
SMILESCCCCC1[C@H](C)O[C@H](COC)[C@@H]1OC
InChIInChI=1S/C12H24O3/c1-5-6-7-10-9(2)15-11(8-13-3)12(10)14-4/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12+/m0/s1
InChIKeyHVOGFTWJCZKEDN-DYXFLFRNSA-N
MW216.32 g/mol
LogP2.24
Rot. Bonds6

About (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane

(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane (PubChem CID 59918570) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane
PubChem CID59918570
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane
SMILESCCCCC1[C@H](C)O[C@H](COC)[C@@H]1OC
InChIInChI=1S/C12H24O3/c1-5-6-7-10-9(2)15-11(8-13-3)12(10)14-4/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12+/m0/s1
InChIKeyHVOGFTWJCZKEDN-DYXFLFRNSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
The IUPAC name of (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane (CID 59918570) is (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane.
What is the SMILES notation for (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
The canonical SMILES for (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane is CCCCC1[C@H](C)O[C@H](COC)[C@@H]1OC.
What is the InChIKey of (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
The InChIKey is HVOGFTWJCZKEDN-DYXFLFRNSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-6-7-10-9(2)15-11(8-13-3)12(10)14-4/h9-12H,5-8H2,1-4H3/t9-,10?,11+,12+/m0/s1.
What are the key properties of (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane?
(2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane has a molecular weight of 216.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-4-butyl-3-methoxy-2-(methoxymethyl)-5-methyloxolane is sourced from PubChem (CID 59918570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).